(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

C15H16N2O3S2 — CID 1210787

IUPAC(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccsc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C15H16N2O3S2/c1-10-4-7-21-11(10)8-12-14(19)17(15(20)22-12)9-13(18)16-5-2-3-6-16/h4,7-8H,2-3,5-6,9H2,1H3/b12-8+
InChIKeyFTGFWKZCCILGQI-XYOKQWHBSA-N
MW336.44 g/mol
LogP2.72
Rot. Bonds3

About (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 1210787) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
PubChem CID1210787
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccsc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C15H16N2O3S2/c1-10-4-7-21-11(10)8-12-14(19)17(15(20)22-12)9-13(18)16-5-2-3-6-16/h4,7-8H,2-3,5-6,9H2,1H3/b12-8+
InChIKeyFTGFWKZCCILGQI-XYOKQWHBSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-Methyl-2-thienyl)methylene]-3-[2-(4-morpholinyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 1232167
(5E)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1210771
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N,N-diethylacetamide
CID 43004769
(5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1210772
(5E)-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1370701
3-Ethyl-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 2189097
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-methylpropanamide
CID 2389676
(2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile
CID 2467940
(5E)-3-[3-Oxo-3-(1-pyrrolidinyl)propyl]-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1370635
(Z)-3-allyl-5-((3-methylthiophen-2-yl)methylene)-2-thioxothiazolidin-4-one
CID 1352618
3-(3-Oxo-3-pyrrolidinylpropyl)-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1370636
(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 1214147

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione (CID 1210787) is (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is Cc1ccsc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O.
What is the InChIKey of (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is FTGFWKZCCILGQI-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-10-4-7-21-11(10)8-12-14(19)17(15(20)22-12)9-13(18)16-5-2-3-6-16/h4,7-8H,2-3,5-6,9H2,1H3/b12-8+.
What are the key properties of (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?
(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 336.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1210787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).